2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide

C19H25N5O3 — CID 162479005

IUPAC2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide
SMILESCc1ccn(C(CC2CC2)C(=O)N[C@H](C#N)C[C@@H]2CCNC2=O)c(=O)c1N
InChIInChI=1S/C19H25N5O3/c1-11-5-7-24(19(27)16(11)21)15(8-12-2-3-12)18(26)23-14(10-20)9-13-4-6-22-17(13)25/h5,7,12-15H,2-4,6,8-9,21H2,1H3,(H,22,25)(H,23,26)/t13-,14-,15?/m0/s1
InChIKeyZFABOFOQNCVZFC-ZYOSVBKOSA-N
MW371.44 g/mol
LogP0.61
Rot. Bonds7

About 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide

2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide (PubChem CID 162479005) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide
PubChem CID162479005
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide
SMILESCc1ccn(C(CC2CC2)C(=O)N[C@H](C#N)C[C@@H]2CCNC2=O)c(=O)c1N
InChIInChI=1S/C19H25N5O3/c1-11-5-7-24(19(27)16(11)21)15(8-12-2-3-12)18(26)23-14(10-20)9-13-4-6-22-17(13)25/h5,7,12-15H,2-4,6,8-9,21H2,1H3,(H,22,25)(H,23,26)/t13-,14-,15?/m0/s1
InChIKeyZFABOFOQNCVZFC-ZYOSVBKOSA-N
XLogP0.61
TPSA130.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide?
The IUPAC name of 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide (CID 162479005) is 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide.
What is the SMILES notation for 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide?
The canonical SMILES for 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide is Cc1ccn(C(CC2CC2)C(=O)N[C@H](C#N)C[C@@H]2CCNC2=O)c(=O)c1N.
What is the InChIKey of 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide?
The InChIKey is ZFABOFOQNCVZFC-ZYOSVBKOSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-11-5-7-24(19(27)16(11)21)15(8-12-2-3-12)18(26)23-14(10-20)9-13-4-6-22-17(13)25/h5,7,12-15H,2-4,6,8-9,21H2,1H3,(H,22,25)(H,23,26)/t13-,14-,15?/m0/s1.
What are the key properties of 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide?
2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide has a molecular weight of 371.44 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide is sourced from PubChem (CID 162479005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).