(2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide

C20H31N7O — CID 162475052

IUPAC(2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide
SMILESCCCC[C@](C)(CNC(=O)[C@@H]1CCCCN1)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C20H31N7O/c1-3-4-10-20(2,13-24-18(28)15-8-5-6-11-22-15)27-17-16-14(9-7-12-23-16)25-19(21)26-17/h7,9,12,15,22H,3-6,8,10-11,13H2,1-2H3,(H,24,28)(H3,21,25,26,27)/t15-,20+/m0/s1
InChIKeyHJTXBCIPPBMLNH-MGPUTAFESA-N
MW385.52 g/mol
LogP2.23
Rot. Bonds8

About (2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide

(2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide (PubChem CID 162475052) has the molecular formula C20H31N7O and a molecular weight of 385.52 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide
PubChem CID162475052
Molecular FormulaC20H31N7O
Molecular Weight385.52 g/mol
Exact Mass385.26
IUPAC Name(2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide
SMILESCCCC[C@](C)(CNC(=O)[C@@H]1CCCCN1)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C20H31N7O/c1-3-4-10-20(2,13-24-18(28)15-8-5-6-11-22-15)27-17-16-14(9-7-12-23-16)25-19(21)26-17/h7,9,12,15,22H,3-6,8,10-11,13H2,1-2H3,(H,24,28)(H3,21,25,26,27)/t15-,20+/m0/s1
InChIKeyHJTXBCIPPBMLNH-MGPUTAFESA-N
XLogP2.23
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide with MolForge

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Related Compounds

2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide
CID 166010358
N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 122599112
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptyl]acetamide
CID 122585361
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide
CID 175478859
4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598680
N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide
CID 169102407
N-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide
CID 162680445
4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598693
N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305634
N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305672
N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 134319204
(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 161453106

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide (CID 162475052) is (2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide is CCCC[C@](C)(CNC(=O)[C@@H]1CCCCN1)Nc1nc(N)nc2cccnc12.
What is the InChIKey of (2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide?
The InChIKey is HJTXBCIPPBMLNH-MGPUTAFESA-N. The full InChI is InChI=1S/C20H31N7O/c1-3-4-10-20(2,13-24-18(28)15-8-5-6-11-22-15)27-17-16-14(9-7-12-23-16)25-19(21)26-17/h7,9,12,15,22H,3-6,8,10-11,13H2,1-2H3,(H,24,28)(H3,21,25,26,27)/t15-,20+/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide?
(2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide has a molecular weight of 385.52 g/mol, XLogP of 2.23, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide is sourced from PubChem (CID 162475052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).