3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide

C23H31N5O — CID 46178460

IUPAC3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide
SMILESNc1ccc(C2CCCCC2)nc1C(=O)Nc1cnccc1[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C23H31N5O/c24-17-8-4-7-16(13-17)18-11-12-26-14-21(18)28-23(29)22-19(25)9-10-20(27-22)15-5-2-1-3-6-15/h9-12,14-17H,1-8,13,24-25H2,(H,28,29)/t16-,17+/m1/s1
InChIKeyAKRXLINEJRYTHQ-SJORKVTESA-N
MW393.54 g/mol
LogP4.34
Rot. Bonds4

About 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide

3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide (PubChem CID 46178460) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide
PubChem CID46178460
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide
SMILESNc1ccc(C2CCCCC2)nc1C(=O)Nc1cnccc1[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C23H31N5O/c24-17-8-4-7-16(13-17)18-11-12-26-14-21(18)28-23(29)22-19(25)9-10-20(27-22)15-5-2-1-3-6-15/h9-12,14-17H,1-8,13,24-25H2,(H,28,29)/t16-,17+/m1/s1
InChIKeyAKRXLINEJRYTHQ-SJORKVTESA-N
XLogP4.34
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide (CID 46178460) is 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide is Nc1ccc(C2CCCCC2)nc1C(=O)Nc1cnccc1[C@@H]1CCC[C@H](N)C1.
What is the InChIKey of 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide?
The InChIKey is AKRXLINEJRYTHQ-SJORKVTESA-N. The full InChI is InChI=1S/C23H31N5O/c24-17-8-4-7-16(13-17)18-11-12-26-14-21(18)28-23(29)22-19(25)9-10-20(27-22)15-5-2-1-3-6-15/h9-12,14-17H,1-8,13,24-25H2,(H,28,29)/t16-,17+/m1/s1.
What are the key properties of 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide?
3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide is sourced from PubChem (CID 46178460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).