N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide

C16H21N3O3 — CID 138000668

IUPACN-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCOCCC1CN(C(=O)c2ccnc(NC(=O)C3CC3)c2)C1
InChIInChI=1S/C16H21N3O3/c1-22-7-5-11-9-19(10-11)16(21)13-4-6-17-14(8-13)18-15(20)12-2-3-12/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3,(H,17,18,20)
InChIKeyGTHHWVIHYPFESM-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.54
Rot. Bonds6

About N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 138000668) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID138000668
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCOCCC1CN(C(=O)c2ccnc(NC(=O)C3CC3)c2)C1
InChIInChI=1S/C16H21N3O3/c1-22-7-5-11-9-19(10-11)16(21)13-4-6-17-14(8-13)18-15(20)12-2-3-12/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3,(H,17,18,20)
InChIKeyGTHHWVIHYPFESM-UHFFFAOYSA-N
XLogP1.54
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-ethyl-2-methylpiperazine-1-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
CID 136542227
N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
CID 138997436
2-(cyclopropanecarbonylamino)-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 136541919
methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate
CID 121017369
2-(cyclopropanecarbonylamino)-N-(1-methylimidazol-4-yl)pyridine-4-carboxamide
CID 118065444
N-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide
CID 136542036
(3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
CID 103538720
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide
CID 162630508
2-(cyclopropanecarbonylamino)-N-[4-(cyclopropylmethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 118070965
2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 118071000
N-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide
CID 124939994

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide (CID 138000668) is N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide is COCCC1CN(C(=O)c2ccnc(NC(=O)C3CC3)c2)C1.
What is the InChIKey of N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is GTHHWVIHYPFESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-22-7-5-11-9-19(10-11)16(21)13-4-6-17-14(8-13)18-15(20)12-2-3-12/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3,(H,17,18,20).
What are the key properties of N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 138000668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).