N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide

C26H30N6O2 — CID 110163496

IUPACN-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCc1cc(N2CCC(O)(CN(C)C(=O)c3ccc4nc(C(C)C)[nH]c4c3)C2)c2cnccc2n1
InChIInChI=1S/C26H30N6O2/c1-16(2)24-29-21-6-5-18(12-22(21)30-24)25(33)31(4)14-26(34)8-10-32(15-26)23-11-17(3)28-20-7-9-27-13-19(20)23/h5-7,9,11-13,16,34H,8,10,14-15H2,1-4H3,(H,29,30)
InChIKeyMHZJQGAYGACHSZ-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.65
Rot. Bonds5

About N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide

N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 110163496) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID110163496
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC NameN-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCc1cc(N2CCC(O)(CN(C)C(=O)c3ccc4nc(C(C)C)[nH]c4c3)C2)c2cnccc2n1
InChIInChI=1S/C26H30N6O2/c1-16(2)24-29-21-6-5-18(12-22(21)30-24)25(33)31(4)14-26(34)8-10-32(15-26)23-11-17(3)28-20-7-9-27-13-19(20)23/h5-7,9,11-13,16,34H,8,10,14-15H2,1-4H3,(H,29,30)
InChIKeyMHZJQGAYGACHSZ-UHFFFAOYSA-N
XLogP3.65
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide (CID 110163496) is N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide is Cc1cc(N2CCC(O)(CN(C)C(=O)c3ccc4nc(C(C)C)[nH]c4c3)C2)c2cnccc2n1.
What is the InChIKey of N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is MHZJQGAYGACHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-16(2)24-29-21-6-5-18(12-22(21)30-24)25(33)31(4)14-26(34)8-10-32(15-26)23-11-17(3)28-20-7-9-27-13-19(20)23/h5-7,9,11-13,16,34H,8,10,14-15H2,1-4H3,(H,29,30).
What are the key properties of N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110163496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).