N-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide

C17H18ClN5O — CID 157201911

IUPACN-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
SMILESCCNC1=NCc2cc(CC(=O)NCc3ncccc3Cl)ncc21
InChIInChI=1S/C17H18ClN5O/c1-2-19-17-13-9-21-12(6-11(13)8-23-17)7-16(24)22-10-15-14(18)4-3-5-20-15/h3-6,9H,2,7-8,10H2,1H3,(H,19,23)(H,22,24)
InChIKeyAQWWEAJXBHJAME-UHFFFAOYSA-N
MW343.82 g/mol
LogP1.86
Rot. Bonds5

About N-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide

N-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide (PubChem CID 157201911) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
PubChem CID157201911
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC NameN-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
SMILESCCNC1=NCc2cc(CC(=O)NCc3ncccc3Cl)ncc21
InChIInChI=1S/C17H18ClN5O/c1-2-19-17-13-9-21-12(6-11(13)8-23-17)7-16(24)22-10-15-14(18)4-3-5-20-15/h3-6,9H,2,7-8,10H2,1H3,(H,19,23)(H,22,24)
InChIKeyAQWWEAJXBHJAME-UHFFFAOYSA-N
XLogP1.86
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide with MolForge

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Related Compounds

N-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 149017048
(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-methoxy-4-phenylpentan-2-one
CID 160718753
6-amino-3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 82744378
2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 106994204
5-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104641317
2-(ethylamino)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82734231
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 63308967
2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide
CID 82741526
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide
CID 82738689
N-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 159800514
2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride
CID 68723222
1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol
CID 90923258

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide (CID 157201911) is N-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide is CCNC1=NCc2cc(CC(=O)NCc3ncccc3Cl)ncc21.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The InChIKey is AQWWEAJXBHJAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-2-19-17-13-9-21-12(6-11(13)8-23-17)7-16(24)22-10-15-14(18)4-3-5-20-15/h3-6,9H,2,7-8,10H2,1H3,(H,19,23)(H,22,24).
What are the key properties of N-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
N-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide has a molecular weight of 343.82 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 157201911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).