N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide

C18H20N6O — CID 71931528

IUPACN-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NC2CCCN(c3ncccn3)C2)nc1
InChIInChI=1S/C18H20N6O/c1-2-8-19-17(25)14-6-7-16(22-12-14)23-15-5-3-11-24(13-15)18-20-9-4-10-21-18/h1,4,6-7,9-10,12,15H,3,5,8,11,13H2,(H,19,25)(H,22,23)
InChIKeyXJDKVKSENGDVCT-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.32
Rot. Bonds5

About N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide

N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide (PubChem CID 71931528) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
PubChem CID71931528
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NC2CCCN(c3ncccn3)C2)nc1
InChIInChI=1S/C18H20N6O/c1-2-8-19-17(25)14-6-7-16(22-12-14)23-15-5-3-11-24(13-15)18-20-9-4-10-21-18/h1,4,6-7,9-10,12,15H,3,5,8,11,13H2,(H,19,25)(H,22,23)
InChIKeyXJDKVKSENGDVCT-UHFFFAOYSA-N
XLogP1.32
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133325717
6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133357122
6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide
CID 133362088
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide
CID 133411794
6-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
CID 133499229
6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-N-prop-2-ynylpyridine-3-carboxamide
CID 133399815
[6-(cyclopentylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109152191
6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
CID 133315488
6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133316628
6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133441783
(3aS,6aR)-2-[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063342
N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide
CID 133486904

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide (CID 71931528) is N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide is C#CCNC(=O)c1ccc(NC2CCCN(c3ncccn3)C2)nc1.
What is the InChIKey of N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is XJDKVKSENGDVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-2-8-19-17(25)14-6-7-16(22-12-14)23-15-5-3-11-24(13-15)18-20-9-4-10-21-18/h1,4,6-7,9-10,12,15H,3,5,8,11,13H2,(H,19,25)(H,22,23).
What are the key properties of N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide?
N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 71931528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).