1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide

C19H21N5O2 — CID 167979437

IUPAC1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)CC(O)C1
InChIInChI=1S/C19H21N5O2/c20-11-19(7-14(25)8-19)18(26)22-10-13-5-6-17(21-9-13)24-12-23-15-3-1-2-4-16(15)24/h1-6,9,12,14,25H,7-8,10-11,20H2,(H,22,26)
InChIKeyVJOUCRFYQPGNPU-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.14
Rot. Bonds5

About 1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide

1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide (PubChem CID 167979437) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide
PubChem CID167979437
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)CC(O)C1
InChIInChI=1S/C19H21N5O2/c20-11-19(7-14(25)8-19)18(26)22-10-13-5-6-17(21-9-13)24-12-23-15-3-1-2-4-16(15)24/h1-6,9,12,14,25H,7-8,10-11,20H2,(H,22,26)
InChIKeyVJOUCRFYQPGNPU-UHFFFAOYSA-N
XLogP1.14
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 49046325
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 49045941
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62293136
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 49046752
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide
CID 49046518
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 49046652
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide
CID 49046801
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide;2,2,2-trifluoroacetic acid
CID 166252640
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 49046400
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-[benzyl(methyl)amino]acetamide
CID 49045784
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-4-ethoxybutanamide
CID 49046049
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 49046224

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide (CID 167979437) is 1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide is NCC1(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)CC(O)C1.
What is the InChIKey of 1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide?
The InChIKey is VJOUCRFYQPGNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c20-11-19(7-14(25)8-19)18(26)22-10-13-5-6-17(21-9-13)24-12-23-15-3-1-2-4-16(15)24/h1-6,9,12,14,25H,7-8,10-11,20H2,(H,22,26).
What are the key properties of 1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide?
1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide is sourced from PubChem (CID 167979437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).