5-amino-N-[6-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide

C26H37N5O4 — CID 71019372

IUPAC5-amino-N-[6-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2nc(C3C[C@](C)(CO)O[C@](C)(CO)C3)ccc2NC(=O)c2ncc(N)[nH]2)CC1
InChIInChI=1S/C26H37N5O4/c1-24(2)9-7-16(8-10-24)21-19(30-23(34)22-28-13-20(27)31-22)6-5-18(29-21)17-11-25(3,14-32)35-26(4,12-17)15-33/h5-7,13,17,32-33H,8-12,14-15,27H2,1-4H3,(H,28,31)(H,30,34)/t17?,25-,26+
InChIKeyJORSZKLPAKLKRM-SOMFESITSA-N
MW483.61 g/mol
LogP3.63
Rot. Bonds6

About 5-amino-N-[6-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide

5-amino-N-[6-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide (PubChem CID 71019372) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is 5-amino-N-[6-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[6-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
PubChem CID71019372
Molecular FormulaC26H37N5O4
Molecular Weight483.61 g/mol
Exact Mass483.28
IUPAC Name5-amino-N-[6-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2nc(C3C[C@](C)(CO)O[C@](C)(CO)C3)ccc2NC(=O)c2ncc(N)[nH]2)CC1
InChIInChI=1S/C26H37N5O4/c1-24(2)9-7-16(8-10-24)21-19(30-23(34)22-28-13-20(27)31-22)6-5-18(29-21)17-11-25(3,14-32)35-26(4,12-17)15-33/h5-7,13,17,32-33H,8-12,14-15,27H2,1-4H3,(H,28,31)(H,30,34)/t17?,25-,26+
InChIKeyJORSZKLPAKLKRM-SOMFESITSA-N
XLogP3.63
TPSA146.38 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 53.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[6-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-amino-N-[6-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide (CID 71019372) is 5-amino-N-[6-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[6-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-amino-N-[6-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide is CC1(C)CC=C(c2nc(C3C[C@](C)(CO)O[C@](C)(CO)C3)ccc2NC(=O)c2ncc(N)[nH]2)CC1.
What is the InChIKey of 5-amino-N-[6-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide?
The InChIKey is JORSZKLPAKLKRM-SOMFESITSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-24(2)9-7-16(8-10-24)21-19(30-23(34)22-28-13-20(27)31-22)6-5-18(29-21)17-11-25(3,14-32)35-26(4,12-17)15-33/h5-7,13,17,32-33H,8-12,14-15,27H2,1-4H3,(H,28,31)(H,30,34)/t17?,25-,26+.
What are the key properties of 5-amino-N-[6-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide?
5-amino-N-[6-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide has a molecular weight of 483.61 g/mol, XLogP of 3.63, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[6-[(2S,6R)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 71019372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).