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2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide

C24H30N6O3 — CID 163832924

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide
SMILESCCCNC(=O)C(NC(=O)c1cc(-c2cnn(C)c2)cnc1N)[C@@H](C)OCc1ccccc1
InChIInChI=1S/C24H30N6O3/c1-4-10-26-24(32)21(16(2)33-15-17-8-6-5-7-9-17)29-23(31)20-11-18(12-27-22(20)25)19-13-28-30(3)14-19/h5-9,11-14,16,21H,4,10,15H2,1-3H3,(H2,25,27)(H,26,32)(H,29,31)/t16-,21?/m1/s1
InChIKeyOFFPBVRPPBECSE-UJONTBEJSA-N
MW450.54 g/mol
LogP2.29
Rot. Bonds10

About 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide

2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide (PubChem CID 163832924) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide
PubChem CID163832924
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide
SMILESCCCNC(=O)C(NC(=O)c1cc(-c2cnn(C)c2)cnc1N)[C@@H](C)OCc1ccccc1
InChIInChI=1S/C24H30N6O3/c1-4-10-26-24(32)21(16(2)33-15-17-8-6-5-7-9-17)29-23(31)20-11-18(12-27-22(20)25)19-13-28-30(3)14-19/h5-9,11-14,16,21H,4,10,15H2,1-3H3,(H2,25,27)(H,26,32)(H,29,31)/t16-,21?/m1/s1
InChIKeyOFFPBVRPPBECSE-UJONTBEJSA-N
XLogP2.29
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide (CID 163832924) is 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide is CCCNC(=O)C(NC(=O)c1cc(-c2cnn(C)c2)cnc1N)[C@@H](C)OCc1ccccc1.
What is the InChIKey of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide?
The InChIKey is OFFPBVRPPBECSE-UJONTBEJSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-4-10-26-24(32)21(16(2)33-15-17-8-6-5-7-9-17)29-23(31)20-11-18(12-27-22(20)25)19-13-28-30(3)14-19/h5-9,11-14,16,21H,4,10,15H2,1-3H3,(H2,25,27)(H,26,32)(H,29,31)/t16-,21?/m1/s1.
What are the key properties of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide?
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.29, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 163832924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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