5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide

C16H21N7O — CID 90354325

IUPAC5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide
SMILESNC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1ccncn1
InChIInChI=1S/C16H21N7O/c17-11-3-1-2-4-12(11)22-10-7-13(15(16(18)24)20-8-10)23-14-5-6-19-9-21-14/h5-9,11-12,22H,1-4,17H2,(H2,18,24)(H,19,21,23)/t11-,12+/m0/s1
InChIKeyPFAHCBUBFYHDSY-NWDGAFQWSA-N
MW327.39 g/mol
LogP1.40
Rot. Bonds5

About 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide

5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide (PubChem CID 90354325) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide
PubChem CID90354325
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide
SMILESNC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1ccncn1
InChIInChI=1S/C16H21N7O/c17-11-3-1-2-4-12(11)22-10-7-13(15(16(18)24)20-8-10)23-14-5-6-19-9-21-14/h5-9,11-12,22H,1-4,17H2,(H2,18,24)(H,19,21,23)/t11-,12+/m0/s1
InChIKeyPFAHCBUBFYHDSY-NWDGAFQWSA-N
XLogP1.40
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide?
The IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide (CID 90354325) is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide is NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1ccncn1.
What is the InChIKey of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide?
The InChIKey is PFAHCBUBFYHDSY-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H21N7O/c17-11-3-1-2-4-12(11)22-10-7-13(15(16(18)24)20-8-10)23-14-5-6-19-9-21-14/h5-9,11-12,22H,1-4,17H2,(H2,18,24)(H,19,21,23)/t11-,12+/m0/s1.
What are the key properties of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide?
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 90354325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).