5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide

C12H18ClN3O — CID 114921827

IUPAC5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)C(C)C)c(Cl)cn1
InChIInChI=1S/C12H18ClN3O/c1-5-14-11-6-9(10(13)7-15-11)12(17)16(4)8(2)3/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeySMPNSRMWXQYYIK-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.65
Rot. Bonds4

About 5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide

5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 114921827) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
PubChem CID114921827
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)C(C)C)c(Cl)cn1
InChIInChI=1S/C12H18ClN3O/c1-5-14-11-6-9(10(13)7-15-11)12(17)16(4)8(2)3/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeySMPNSRMWXQYYIK-UHFFFAOYSA-N
XLogP2.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(ethylamino)-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 114922169
5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide
CID 114923600
5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114922532
5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114924378
N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114922104
5-chloro-N-cyclopentyl-2-(ethylamino)-N-methylpyridine-4-carboxamide
CID 114922154
5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923804
5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 114922724
5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 114922484
5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 114923196
4-(ethylamino)-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 81235846
5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 114923146

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide (CID 114921827) is 5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide is CCNc1cc(C(=O)N(C)C(C)C)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is SMPNSRMWXQYYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-5-14-11-6-9(10(13)7-15-11)12(17)16(4)8(2)3/h6-8H,5H2,1-4H3,(H,14,15).
What are the key properties of 5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide?
5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 114921827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).