N-benzyl-4-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide

C18H21N3O2 — CID 133329833

IUPACN-benzyl-4-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NCC2(O)CCC2)ccn1
InChIInChI=1S/C18H21N3O2/c22-17(20-12-14-5-2-1-3-6-14)16-11-15(7-10-19-16)21-13-18(23)8-4-9-18/h1-3,5-7,10-11,23H,4,8-9,12-13H2,(H,19,21)(H,20,22)
InChIKeyJNHLHLWJSZVAFB-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.34
Rot. Bonds6

About N-benzyl-4-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide

N-benzyl-4-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide (PubChem CID 133329833) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-benzyl-4-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide
PubChem CID133329833
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-benzyl-4-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NCC2(O)CCC2)ccn1
InChIInChI=1S/C18H21N3O2/c22-17(20-12-14-5-2-1-3-6-14)16-11-15(7-10-19-16)21-13-18(23)8-4-9-18/h1-3,5-7,10-11,23H,4,8-9,12-13H2,(H,19,21)(H,20,22)
InChIKeyJNHLHLWJSZVAFB-UHFFFAOYSA-N
XLogP2.34
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide
CID 109209757
methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate
CID 66287095
4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109209769
N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109209680
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
CID 109209720
4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209796
N-benzyl-4-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]pyridine-2-carboxamide
CID 97316430
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209634
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213383

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide (CID 133329833) is N-benzyl-4-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide is O=C(NCc1ccccc1)c1cc(NCC2(O)CCC2)ccn1.
What is the InChIKey of N-benzyl-4-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide?
The InChIKey is JNHLHLWJSZVAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17(20-12-14-5-2-1-3-6-14)16-11-15(7-10-19-16)21-13-18(23)8-4-9-18/h1-3,5-7,10-11,23H,4,8-9,12-13H2,(H,19,21)(H,20,22).
What are the key properties of N-benzyl-4-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide?
N-benzyl-4-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 133329833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).