N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide

C20H21N3O4 — CID 138997436

IUPACN-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1ccc2c(c1)N(C(=O)c1ccnc(NC(=O)C3CC3)c1)CC(C)O2
InChIInChI=1S/C20H21N3O4/c1-12-11-23(16-10-15(26-2)5-6-17(16)27-12)20(25)14-7-8-21-18(9-14)22-19(24)13-3-4-13/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,22,24)
InChIKeyNIGOCGGBFBTCJF-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.87
Rot. Bonds4

About N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide

N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 138997436) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID138997436
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1ccc2c(c1)N(C(=O)c1ccnc(NC(=O)C3CC3)c1)CC(C)O2
InChIInChI=1S/C20H21N3O4/c1-12-11-23(16-10-15(26-2)5-6-17(16)27-12)20(25)14-7-8-21-18(9-14)22-19(24)13-3-4-13/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,22,24)
InChIKeyNIGOCGGBFBTCJF-UHFFFAOYSA-N
XLogP2.87
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Related Compounds

2-(cyclopropanecarbonylamino)-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 136541919
(3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 129370455
[(2S)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 99816977
N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide
CID 138000668
1-[4-[(2S)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropane-1-carbonitrile
CID 124615412
N-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide
CID 95320807
[(2S)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 99816982
2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 136582776
(4-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 124607162
[1-(3-chlorophenyl)triazol-4-yl]-[(2S)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 99823947
2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 136541713
N-[4-(4-ethyl-2-methylpiperazine-1-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
CID 136542227

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide (CID 138997436) is N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide is COc1ccc2c(c1)N(C(=O)c1ccnc(NC(=O)C3CC3)c1)CC(C)O2.
What is the InChIKey of N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is NIGOCGGBFBTCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-12-11-23(16-10-15(26-2)5-6-17(16)27-12)20(25)14-7-8-21-18(9-14)22-19(24)13-3-4-13/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,22,24).
What are the key properties of N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide?
N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 138997436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).