N-[[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrrolidine-1-carboxamide

C17H26N6O2 — CID 50983561

IUPACN-[[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrrolidine-1-carboxamide
SMILESCn1cc(NC(=O)CN2CCC=C(CNC(=O)N3CCCC3)C2)cn1
InChIInChI=1S/C17H26N6O2/c1-21-12-15(10-19-21)20-16(24)13-22-6-4-5-14(11-22)9-18-17(25)23-7-2-3-8-23/h5,10,12H,2-4,6-9,11,13H2,1H3,(H,18,25)(H,20,24)
InChIKeyNOBMFGJHIHONTM-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.80
Rot. Bonds5

About N-[[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrrolidine-1-carboxamide

N-[[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 50983561) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID50983561
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-[[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrrolidine-1-carboxamide
SMILESCn1cc(NC(=O)CN2CCC=C(CNC(=O)N3CCCC3)C2)cn1
InChIInChI=1S/C17H26N6O2/c1-21-12-15(10-19-21)20-16(24)13-22-6-4-5-14(11-22)9-18-17(25)23-7-2-3-8-23/h5,10,12H,2-4,6-9,11,13H2,1H3,(H,18,25)(H,20,24)
InChIKeyNOBMFGJHIHONTM-UHFFFAOYSA-N
XLogP0.80
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

US10022354, Example 38
CID 121279682
2-[4-[(1-Ethylpyrrolidin-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetamide
CID 53504545
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-propan-2-ylpiperazine-1-carboxamide
CID 53505760
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 53509083
US10112929, Example 272
CID 137529187
N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide
CID 71864901
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 97880961
2-(4-aminopyrazol-1-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489227
5-fluoro-N-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 132293853
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]urea
CID 136520696
N-(1-tert-butylpyrazol-4-yl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 138042284
6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131655066

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrrolidine-1-carboxamide (CID 50983561) is N-[[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrrolidine-1-carboxamide is Cn1cc(NC(=O)CN2CCC=C(CNC(=O)N3CCCC3)C2)cn1.
What is the InChIKey of N-[[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is NOBMFGJHIHONTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-21-12-15(10-19-21)20-16(24)13-22-6-4-5-14(11-22)9-18-17(25)23-7-2-3-8-23/h5,10,12H,2-4,6-9,11,13H2,1H3,(H,18,25)(H,20,24).
What are the key properties of N-[[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrrolidine-1-carboxamide?
N-[[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 50983561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).