methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate

C16H15N5O3 — CID 112523133

IUPACmethyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(C(=O)Nc2cccc3[nH]cnc23)ccn1
InChIInChI=1S/C16H15N5O3/c1-24-16(23)18-8-11-7-10(5-6-17-11)15(22)21-13-4-2-3-12-14(13)20-9-19-12/h2-7,9H,8H2,1H3,(H,18,23)(H,19,20)(H,21,22)
InChIKeyGNIJSHUAUPIYQP-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.07
Rot. Bonds4

About methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate

methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate (PubChem CID 112523133) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate
PubChem CID112523133
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Namemethyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(C(=O)Nc2cccc3[nH]cnc23)ccn1
InChIInChI=1S/C16H15N5O3/c1-24-16(23)18-8-11-7-10(5-6-17-11)15(22)21-13-4-2-3-12-14(13)20-9-19-12/h2-7,9H,8H2,1H3,(H,18,23)(H,19,20)(H,21,22)
InChIKeyGNIJSHUAUPIYQP-UHFFFAOYSA-N
XLogP2.07
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide
CID 146374973
methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520824
methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521455
2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide
CID 112526496
ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521296
N-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide
CID 75496781
methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112520281
2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 112520426
ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521186
2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 112520469
2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 112522687
N-(2-ethoxyphenyl)-1H-benzimidazole-4-carboxamide
CID 110700925

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate?
The IUPAC name of methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate (CID 112523133) is methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate is COC(=O)NCc1cc(C(=O)Nc2cccc3[nH]cnc23)ccn1.
What is the InChIKey of methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate?
The InChIKey is GNIJSHUAUPIYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-24-16(23)18-8-11-7-10(5-6-17-11)15(22)21-13-4-2-3-12-14(13)20-9-19-12/h2-7,9H,8H2,1H3,(H,18,23)(H,19,20)(H,21,22).
What are the key properties of methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate?
methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate has a molecular weight of 325.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 112523133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).