2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide

C17H19ClN4O2 — CID 51091626

IUPAC2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)CN(C)c1ccc(Cl)cn1
InChIInChI=1S/C17H19ClN4O2/c1-21(15-9-8-13(18)10-19-15)12-17(24)22(2)11-16(23)20-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyUQVBIDYAFAOVMQ-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.27
Rot. Bonds6

About 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide

2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide (PubChem CID 51091626) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide
PubChem CID51091626
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)CN(C)c1ccc(Cl)cn1
InChIInChI=1S/C17H19ClN4O2/c1-21(15-9-8-13(18)10-19-15)12-17(24)22(2)11-16(23)20-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyUQVBIDYAFAOVMQ-UHFFFAOYSA-N
XLogP2.27
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide
CID 43540473
N-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide
CID 63307722
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 4781646
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691460
2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]-2-ethylbutanoic acid
CID 79813313
N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide
CID 55637724
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115747739
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914456
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64868265
3-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-ethylamino]-2-methylpropanoic acid
CID 62825947
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38789403
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide (CID 51091626) is 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide is CN(CC(=O)Nc1ccccc1)C(=O)CN(C)c1ccc(Cl)cn1.
What is the InChIKey of 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide?
The InChIKey is UQVBIDYAFAOVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-21(15-9-8-13(18)10-19-15)12-17(24)22(2)11-16(23)20-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide?
2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide has a molecular weight of 346.82 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide is sourced from PubChem (CID 51091626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).