5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methoxy-2-pyridinyl)amino]pyridine-2-carboxamide

C18H24N6O2 — CID 71547664

IUPAC5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methoxy-2-pyridinyl)amino]pyridine-2-carboxamide
SMILESCOc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1
InChIInChI=1S/C18H24N6O2/c1-26-16-8-4-7-15(24-16)23-14-9-11(10-21-17(14)18(20)25)22-13-6-3-2-5-12(13)19/h4,7-10,12-13,22H,2-3,5-6,19H2,1H3,(H2,20,25)(H,23,24)/t12-,13+/m0/s1
InChIKeyQMLXEYBYTXOOSS-QWHCGFSZSA-N
MW356.43 g/mol
LogP2.01
Rot. Bonds6

About 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methoxy-2-pyridinyl)amino]pyridine-2-carboxamide

5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methoxy-2-pyridinyl)amino]pyridine-2-carboxamide (PubChem CID 71547664) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methoxy-2-pyridinyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methoxy-2-pyridinyl)amino]pyridine-2-carboxamide
PubChem CID71547664
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methoxy-2-pyridinyl)amino]pyridine-2-carboxamide
SMILESCOc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1
InChIInChI=1S/C18H24N6O2/c1-26-16-8-4-7-15(24-16)23-14-9-11(10-21-17(14)18(20)25)22-13-6-3-2-5-12(13)19/h4,7-10,12-13,22H,2-3,5-6,19H2,1H3,(H2,20,25)(H,23,24)/t12-,13+/m0/s1
InChIKeyQMLXEYBYTXOOSS-QWHCGFSZSA-N
XLogP2.01
TPSA128.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methoxy-2-pyridinyl)amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methoxy-2-pyridinyl)amino]pyridine-2-carboxamide (CID 71547664) is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methoxy-2-pyridinyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methoxy-2-pyridinyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methoxy-2-pyridinyl)amino]pyridine-2-carboxamide is COc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1.
What is the InChIKey of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methoxy-2-pyridinyl)amino]pyridine-2-carboxamide?
The InChIKey is QMLXEYBYTXOOSS-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-26-16-8-4-7-15(24-16)23-14-9-11(10-21-17(14)18(20)25)22-13-6-3-2-5-12(13)19/h4,7-10,12-13,22H,2-3,5-6,19H2,1H3,(H2,20,25)(H,23,24)/t12-,13+/m0/s1.
What are the key properties of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methoxy-2-pyridinyl)amino]pyridine-2-carboxamide?
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methoxy-2-pyridinyl)amino]pyridine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.01, 6 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-[(6-methoxy-2-pyridinyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 71547664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).