2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N-cyclopropylpyridine-4-carboxamide

C18H18ClN3O2 — CID 95230846

IUPAC2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N-cyclopropylpyridine-4-carboxamide
SMILESNC[C@H]1Cc2cc(Cl)cc(-c3cc(C(=O)NC4CC4)ccn3)c2O1
InChIInChI=1S/C18H18ClN3O2/c19-12-5-11-6-14(9-20)24-17(11)15(8-12)16-7-10(3-4-21-16)18(23)22-13-1-2-13/h3-5,7-8,13-14H,1-2,6,9,20H2,(H,22,23)/t14-/m1/s1
InChIKeyZAMMAHNIKKZBLD-CQSZACIVSA-N
MW343.81 g/mol
LogP2.56
Rot. Bonds4

About 2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N-cyclopropylpyridine-4-carboxamide

2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N-cyclopropylpyridine-4-carboxamide (PubChem CID 95230846) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N-cyclopropylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N-cyclopropylpyridine-4-carboxamide
PubChem CID95230846
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N-cyclopropylpyridine-4-carboxamide
SMILESNC[C@H]1Cc2cc(Cl)cc(-c3cc(C(=O)NC4CC4)ccn3)c2O1
InChIInChI=1S/C18H18ClN3O2/c19-12-5-11-6-14(9-20)24-17(11)15(8-12)16-7-10(3-4-21-16)18(23)22-13-1-2-13/h3-5,7-8,13-14H,1-2,6,9,20H2,(H,22,23)/t14-/m1/s1
InChIKeyZAMMAHNIKKZBLD-CQSZACIVSA-N
XLogP2.56
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-5-chloro-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95230841
[(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383335
[(2S)-5-chloro-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129384142
[(2R)-5-chloro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383347
[(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383339
6-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine
CID 95215175
6-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N,N-dimethylpyrazin-2-amine
CID 95215174
[(2R)-5-chloro-7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95207647
[(2S)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 125178415
6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 125171641
5-acetyl-N-[[(2S)-5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide
CID 42397800
2-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116266

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N-cyclopropylpyridine-4-carboxamide?
The IUPAC name of 2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N-cyclopropylpyridine-4-carboxamide (CID 95230846) is 2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N-cyclopropylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N-cyclopropylpyridine-4-carboxamide?
The canonical SMILES for 2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N-cyclopropylpyridine-4-carboxamide is NC[C@H]1Cc2cc(Cl)cc(-c3cc(C(=O)NC4CC4)ccn3)c2O1.
What is the InChIKey of 2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N-cyclopropylpyridine-4-carboxamide?
The InChIKey is ZAMMAHNIKKZBLD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-12-5-11-6-14(9-20)24-17(11)15(8-12)16-7-10(3-4-21-16)18(23)22-13-1-2-13/h3-5,7-8,13-14H,1-2,6,9,20H2,(H,22,23)/t14-/m1/s1.
What are the key properties of 2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N-cyclopropylpyridine-4-carboxamide?
2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N-cyclopropylpyridine-4-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-N-cyclopropylpyridine-4-carboxamide is sourced from PubChem (CID 95230846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).