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

C19H24N4O — CID 119952941

IUPAC3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
SMILESNC(CC(=O)NCc1ccnc(N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C19H24N4O/c20-17(16-6-2-1-3-7-16)13-19(24)22-14-15-8-9-21-18(12-15)23-10-4-5-11-23/h1-3,6-9,12,17H,4-5,10-11,13-14,20H2,(H,22,24)
InChIKeyUAIGJVHGOMOSFZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.39
Rot. Bonds6

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

3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide (PubChem CID 119952941) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
PubChem CID119952941
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
SMILESNC(CC(=O)NCc1ccnc(N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C19H24N4O/c20-17(16-6-2-1-3-7-16)13-19(24)22-14-15-8-9-21-18(12-15)23-10-4-5-11-23/h1-3,6-9,12,17H,4-5,10-11,13-14,20H2,(H,22,24)
InChIKeyUAIGJVHGOMOSFZ-UHFFFAOYSA-N
XLogP2.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 119841340
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
2-hydroxy-2-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 111432227
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 120595080
2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37313326
(2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841552
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
CID 120595081
N-[2-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]-2-oxoethyl]-4-phenylbenzamide
CID 86899036
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide?
The IUPAC name of 3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide (CID 119952941) is 3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide is NC(CC(=O)NCc1ccnc(N2CCCC2)c1)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide?
The InChIKey is UAIGJVHGOMOSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c20-17(16-6-2-1-3-7-16)13-19(24)22-14-15-8-9-21-18(12-15)23-10-4-5-11-23/h1-3,6-9,12,17H,4-5,10-11,13-14,20H2,(H,22,24).
What are the key properties of 3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide?
3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide has a molecular weight of 324.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 119952941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).