5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide

C15H23ClN4O — CID 114924010

IUPAC5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)CC2CCCN2C)c(Cl)cn1
InChIInChI=1S/C15H23ClN4O/c1-4-17-14-8-12(13(16)9-18-14)15(21)20(3)10-11-6-5-7-19(11)2/h8-9,11H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyMZUWWSBUWAMOGT-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.33
Rot. Bonds5

About 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide

5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 114924010) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide
PubChem CID114924010
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)CC2CCCN2C)c(Cl)cn1
InChIInChI=1S/C15H23ClN4O/c1-4-17-14-8-12(13(16)9-18-14)15(21)20(3)10-11-6-5-7-19(11)2/h8-9,11H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyMZUWWSBUWAMOGT-UHFFFAOYSA-N
XLogP2.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 79311186
5-chloro-2-(ethylamino)-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 114922760
5-chloro-N-cyclopentyl-2-(ethylamino)-N-methylpyridine-4-carboxamide
CID 114922154
5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 79314462
5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide
CID 114923600
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 114921368
5-chloro-N-cyclohexyl-2-(ethylamino)pyridine-4-carboxamide
CID 114921677
5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 114921827
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[5-chloro-2-(ethylamino)-4-pyridinyl]methanone
CID 114923871
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588815
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228721
4-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 81248561

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide (CID 114924010) is 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide is CCNc1cc(C(=O)N(C)CC2CCCN2C)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is MZUWWSBUWAMOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-4-17-14-8-12(13(16)9-18-14)15(21)20(3)10-11-6-5-7-19(11)2/h8-9,11H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide?
5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114924010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).