6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide

C21H21N5O — CID 133327923

IUPAC6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NCc2cc(N(C)C)nc3ccccc23)nc1
InChIInChI=1S/C21H21N5O/c1-4-11-22-21(27)15-9-10-19(23-13-15)24-14-16-12-20(26(2)3)25-18-8-6-5-7-17(16)18/h1,5-10,12-13H,11,14H2,2-3H3,(H,22,27)(H,23,24)
InChIKeyPECTUGLVBLKNQV-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.67
Rot. Bonds6

About 6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide

6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 133327923) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID133327923
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NCc2cc(N(C)C)nc3ccccc23)nc1
InChIInChI=1S/C21H21N5O/c1-4-11-22-21(27)15-9-10-19(23-13-15)24-14-16-12-20(26(2)3)25-18-8-6-5-7-17(16)18/h1,5-10,12-13H,11,14H2,2-3H3,(H,22,27)(H,23,24)
InChIKeyPECTUGLVBLKNQV-UHFFFAOYSA-N
XLogP2.67
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide with MolForge

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Related Compounds

4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine
CID 133327888
6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133477137
(2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid
CID 122049964
3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid
CID 122004546
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 115898968
(2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide
CID 96539251
2-phenyl-N-prop-2-ynylquinoline-4-carboxamide
CID 17474136
6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide
CID 133362088
N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109153274
6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133441783
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71869690

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of 6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide (CID 133327923) is 6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide is C#CCNC(=O)c1ccc(NCc2cc(N(C)C)nc3ccccc23)nc1.
What is the InChIKey of 6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is PECTUGLVBLKNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-4-11-22-21(27)15-9-10-19(23-13-15)24-14-16-12-20(26(2)3)25-18-8-6-5-7-17(16)18/h1,5-10,12-13H,11,14H2,2-3H3,(H,22,27)(H,23,24).
What are the key properties of 6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide?
6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 133327923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).