N-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

C24H26N8O3 — CID 170687587

IUPACN-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
SMILESC=CC(=O)N[C@H]1C[C@@H](C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)nc2)CN(C)C1
InChIInChI=1S/C24H26N8O3/c1-3-22(33)27-17-11-15(13-32(2)14-17)23(34)28-16-7-8-21(25-12-16)30-24(35)20-6-4-5-18(29-20)19-9-10-26-31-19/h3-10,12,15,17H,1,11,13-14H2,2H3,(H,26,31)(H,27,33)(H,28,34)(H,25,30,35)/t15-,17+/m1/s1
InChIKeyOAFYNPQNLQPRAH-WBVHZDCISA-N
MW474.53 g/mol
LogP1.68
Rot. Bonds7

About N-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

N-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (PubChem CID 170687587) has the molecular formula C24H26N8O3 and a molecular weight of 474.53 g/mol. Its IUPAC name is N-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
PubChem CID170687587
Molecular FormulaC24H26N8O3
Molecular Weight474.53 g/mol
Exact Mass474.21
IUPAC NameN-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
SMILESC=CC(=O)N[C@H]1C[C@@H](C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)nc2)CN(C)C1
InChIInChI=1S/C24H26N8O3/c1-3-22(33)27-17-11-15(13-32(2)14-17)23(34)28-16-7-8-21(25-12-16)30-24(35)20-6-4-5-18(29-20)19-9-10-26-31-19/h3-10,12,15,17H,1,11,13-14H2,2H3,(H,26,31)(H,27,33)(H,28,34)(H,25,30,35)/t15-,17+/m1/s1
InChIKeyOAFYNPQNLQPRAH-WBVHZDCISA-N
XLogP1.68
TPSA145.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[5-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 166761161
N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide
CID 142361942
N-[2-chloro-4-[5-[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 170719963
N-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557557
N-[4-[[4-(prop-2-enoylamino)bicyclo[2.1.1]hexane-2-carbonyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 166841024
N-[4-[[3-(prop-2-enoylamino)benzoyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;hydrochloride
CID 131704491
N-[5-[(Z)-1-amino-2-[amino-(5,5-difluoro-1-prop-2-enoylpiperidin-3-yl)amino]ethenyl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 174163267
N-[4-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557571
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-6-imidazol-1-ylpyridine-2-carboxamide
CID 75401232
N-[4-[5-oxo-5-[4-(prop-2-enoylamino)phenyl]pentyl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557580
N-[3-(methylamino)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 167310947
(3S)-N-[4-[amino-[(Z)-2-amino-2-[6-(1H-pyrazol-5-yl)-2-pyridinyl]ethenyl]amino]phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 174163276

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (CID 170687587) is N-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is C=CC(=O)N[C@H]1C[C@@H](C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)nc2)CN(C)C1.
What is the InChIKey of N-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is OAFYNPQNLQPRAH-WBVHZDCISA-N. The full InChI is InChI=1S/C24H26N8O3/c1-3-22(33)27-17-11-15(13-32(2)14-17)23(34)28-16-7-8-21(25-12-16)30-24(35)20-6-4-5-18(29-20)19-9-10-26-31-19/h3-10,12,15,17H,1,11,13-14H2,2H3,(H,26,31)(H,27,33)(H,28,34)(H,25,30,35)/t15-,17+/m1/s1.
What are the key properties of N-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
N-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 474.53 g/mol, XLogP of 1.68, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 170687587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).