(2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide

C17H20N6O2 — CID 56875797

IUPAC(2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide
SMILESCC(=O)N1CCc2c(nc(-c3cccnc3)nc2N[C@H](C)C(N)=O)C1
InChIInChI=1S/C17H20N6O2/c1-10(15(18)25)20-17-13-5-7-23(11(2)24)9-14(13)21-16(22-17)12-4-3-6-19-8-12/h3-4,6,8,10H,5,7,9H2,1-2H3,(H2,18,25)(H,20,21,22)/t10-/m1/s1
InChIKeyATSMTEMHQSMOTL-SNVBAGLBSA-N
MW340.39 g/mol
LogP0.73
Rot. Bonds4

About (2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide

(2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide (PubChem CID 56875797) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name(2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide
PubChem CID56875797
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name(2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide
SMILESCC(=O)N1CCc2c(nc(-c3cccnc3)nc2N[C@H](C)C(N)=O)C1
InChIInChI=1S/C17H20N6O2/c1-10(15(18)25)20-17-13-5-7-23(11(2)24)9-14(13)21-16(22-17)12-4-3-6-19-8-12/h3-4,6,8,10H,5,7,9H2,1-2H3,(H2,18,25)(H,20,21,22)/t10-/m1/s1
InChIKeyATSMTEMHQSMOTL-SNVBAGLBSA-N
XLogP0.73
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide with MolForge

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Related Compounds

1-[2-pyridin-3-yl-4-(1-pyridin-3-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56879894
1-[4-[[(1R)-1-phenylethyl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95713430
1-[4-[[(2R)-1-(dimethylamino)butan-2-yl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95557334
1-[4-(hexylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56874581
1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethylamino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95527592
1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95528068
1-[2-pyridin-2-yl-4-(pyridin-3-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56867541
4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide
CID 56917154
1-[4-(2,3-dihydroxypropylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56879379
1-[4-[[(2S)-2,3-dihydroxypropyl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95558673
1-[4-[[(2S)-2-hydroxybutyl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95551557
1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone
CID 56895395

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide?
The IUPAC name of (2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide (CID 56875797) is (2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for (2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for (2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide is CC(=O)N1CCc2c(nc(-c3cccnc3)nc2N[C@H](C)C(N)=O)C1.
What is the InChIKey of (2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide?
The InChIKey is ATSMTEMHQSMOTL-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10(15(18)25)20-17-13-5-7-23(11(2)24)9-14(13)21-16(22-17)12-4-3-6-19-8-12/h3-4,6,8,10H,5,7,9H2,1-2H3,(H2,18,25)(H,20,21,22)/t10-/m1/s1.
What are the key properties of (2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide?
(2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide has a molecular weight of 340.39 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 56875797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).