5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide

C14H22ClN3O2 — CID 114923196

IUPAC5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(CCO)C(C)C)c(Cl)cn1
InChIInChI=1S/C14H22ClN3O2/c1-4-5-16-13-8-11(12(15)9-17-13)14(20)18(6-7-19)10(2)3/h8-10,19H,4-7H2,1-3H3,(H,16,17)
InChIKeyDQSNSGNPFCDADZ-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.40
Rot. Bonds7

About 5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide

5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide (PubChem CID 114923196) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
PubChem CID114923196
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(CCO)C(C)C)c(Cl)cn1
InChIInChI=1S/C14H22ClN3O2/c1-4-5-16-13-8-11(12(15)9-17-13)14(20)18(6-7-19)10(2)3/h8-10,19H,4-7H2,1-3H3,(H,16,17)
InChIKeyDQSNSGNPFCDADZ-UHFFFAOYSA-N
XLogP2.40
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(ethylamino)-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 114922169
5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 114922484
5-chloro-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)pyridine-4-carboxamide
CID 114922728
5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114924378
5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide
CID 62177656
5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114922532
5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 114923905
N-(3-hydroxypropyl)-N-propan-2-yl-6-(propylamino)pyridine-3-carboxamide
CID 62177310
5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 114921827
5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide
CID 114923597
N-propan-2-yl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 62168280
5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114922662

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide (CID 114923196) is 5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)N(CCO)C(C)C)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is DQSNSGNPFCDADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-4-5-16-13-8-11(12(15)9-17-13)14(20)18(6-7-19)10(2)3/h8-10,19H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide?
5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114923196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).