N-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide

C17H26N4O — CID 95139160

IUPACN-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide
SMILESCc1ccnc(NC[C@H]2CCN(CCC(=O)NC3CC3)C2)c1
InChIInChI=1S/C17H26N4O/c1-13-4-7-18-16(10-13)19-11-14-5-8-21(12-14)9-6-17(22)20-15-2-3-15/h4,7,10,14-15H,2-3,5-6,8-9,11-12H2,1H3,(H,18,19)(H,20,22)/t14-/m1/s1
InChIKeyFGIBZDJMMIFIFT-CQSZACIVSA-N
MW302.42 g/mol
LogP1.79
Rot. Bonds7

About N-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide

N-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide (PubChem CID 95139160) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide
PubChem CID95139160
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide
SMILESCc1ccnc(NC[C@H]2CCN(CCC(=O)NC3CC3)C2)c1
InChIInChI=1S/C17H26N4O/c1-13-4-7-18-16(10-13)19-11-14-5-8-21(12-14)9-6-17(22)20-15-2-3-15/h4,7,10,14-15H,2-3,5-6,8-9,11-12H2,1H3,(H,18,19)(H,20,22)/t14-/m1/s1
InChIKeyFGIBZDJMMIFIFT-CQSZACIVSA-N
XLogP1.79
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one
CID 95140081
4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95139063
3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 86773884
1-cyclopropyl-3-(4-methyl-2-pyridinyl)urea
CID 108887621
4-methyl-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 107413738
2-(cyclopropylamino)-N-(4-methyl-2-pyridinyl)acetamide
CID 60842851
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[[(4-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
CID 70695892
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329841
1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56525101
tert-butyl 2-[[(4-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 71634391
N-cyclopropyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109011725
N-(2-acetamidoethyl)-2-[(3S)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
CID 95156695

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide (CID 95139160) is N-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide is Cc1ccnc(NC[C@H]2CCN(CCC(=O)NC3CC3)C2)c1.
What is the InChIKey of N-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide?
The InChIKey is FGIBZDJMMIFIFT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-4-7-18-16(10-13)19-11-14-5-8-21(12-14)9-6-17(22)20-15-2-3-15/h4,7,10,14-15H,2-3,5-6,8-9,11-12H2,1H3,(H,18,19)(H,20,22)/t14-/m1/s1.
What are the key properties of N-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide?
N-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide has a molecular weight of 302.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 95139160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).