2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile

C16H21N7 — CID 168932145

IUPAC2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
SMILESCC(C)Nc1nc(C#N)cc2cnc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C16H21N7/c1-10(2)20-15-14-11(6-13(7-17)21-15)8-19-16(23-14)22-12-4-3-5-18-9-12/h6,8,10,12,18H,3-5,9H2,1-2H3,(H,20,21)(H,19,22,23)/t12-/m1/s1
InChIKeyWNGQETNONRANJC-GFCCVEGCSA-N
MW311.39 g/mol
LogP1.88
Rot. Bonds4

About 2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile

2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile (PubChem CID 168932145) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
PubChem CID168932145
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
SMILESCC(C)Nc1nc(C#N)cc2cnc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C16H21N7/c1-10(2)20-15-14-11(6-13(7-17)21-15)8-19-16(23-14)22-12-4-3-5-18-9-12/h6,8,10,12,18H,3-5,9H2,1-2H3,(H,20,21)(H,19,22,23)/t12-/m1/s1
InChIKeyWNGQETNONRANJC-GFCCVEGCSA-N
XLogP1.88
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile with MolForge

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Related Compounds

2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
CID 170187768
2-[(1,1-dioxothian-3-yl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
CID 168932383
2-[[(1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
CID 175907179
1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932347
7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932124
2-methylsulfinyl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
CID 168932099
(1R)-1-[2-[(4-aminocyclohexyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 175907188
1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932072
1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932275
5-(piperidin-3-ylamino)pyridine-2-carbonitrile
CID 115490388
2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile
CID 153397142
5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 54274609

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile?
The IUPAC name of 2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile (CID 168932145) is 2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile is CC(C)Nc1nc(C#N)cc2cnc(N[C@@H]3CCCNC3)nc12.
What is the InChIKey of 2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile?
The InChIKey is WNGQETNONRANJC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N7/c1-10(2)20-15-14-11(6-13(7-17)21-15)8-19-16(23-14)22-12-4-3-5-18-9-12/h6,8,10,12,18H,3-5,9H2,1-2H3,(H,20,21)(H,19,22,23)/t12-/m1/s1.
What are the key properties of 2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile?
2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile has a molecular weight of 311.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 168932145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).