4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide

C26H35N7O — CID 58997168

IUPAC4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCc1cnc(CN(Cc2ncccc2C(C)C)C2CCN(C(=O)Nc3ncc[nH]3)CC2)c(C)c1
InChIInChI=1S/C26H35N7O/c1-18(2)22-6-5-9-27-24(22)17-33(16-23-20(4)14-19(3)15-30-23)21-7-12-32(13-8-21)26(34)31-25-28-10-11-29-25/h5-6,9-11,14-15,18,21H,7-8,12-13,16-17H2,1-4H3,(H2,28,29,31,34)
InChIKeyFPBVLJWZUDQXJU-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.64
Rot. Bonds7

About 4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide

4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 58997168) has the molecular formula C26H35N7O and a molecular weight of 461.61 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID58997168
Molecular FormulaC26H35N7O
Molecular Weight461.61 g/mol
Exact Mass461.29
IUPAC Name4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCc1cnc(CN(Cc2ncccc2C(C)C)C2CCN(C(=O)Nc3ncc[nH]3)CC2)c(C)c1
InChIInChI=1S/C26H35N7O/c1-18(2)22-6-5-9-27-24(22)17-33(16-23-20(4)14-19(3)15-30-23)21-7-12-32(13-8-21)26(34)31-25-28-10-11-29-25/h5-6,9-11,14-15,18,21H,7-8,12-13,16-17H2,1-4H3,(H2,28,29,31,34)
InChIKeyFPBVLJWZUDQXJU-UHFFFAOYSA-N
XLogP4.64
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 58997168) is 4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide is Cc1cnc(CN(Cc2ncccc2C(C)C)C2CCN(C(=O)Nc3ncc[nH]3)CC2)c(C)c1.
What is the InChIKey of 4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is FPBVLJWZUDQXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O/c1-18(2)22-6-5-9-27-24(22)17-33(16-23-20(4)14-19(3)15-30-23)21-7-12-32(13-8-21)26(34)31-25-28-10-11-29-25/h5-6,9-11,14-15,18,21H,7-8,12-13,16-17H2,1-4H3,(H2,28,29,31,34).
What are the key properties of 4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide?
4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 58997168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).