N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide

C14H21ClN4O2 — CID 106280116

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCC(C)(C)C(N)=O)c(Cl)cn1
InChIInChI=1S/C14H21ClN4O2/c1-4-5-17-11-6-9(10(15)7-18-11)12(20)19-8-14(2,3)13(16)21/h6-7H,4-5,8H2,1-3H3,(H2,16,21)(H,17,18)(H,19,20)
InChIKeyRGGXTSWSPFOYAX-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.80
Rot. Bonds7

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide (PubChem CID 106280116) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
PubChem CID106280116
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCC(C)(C)C(N)=O)c(Cl)cn1
InChIInChI=1S/C14H21ClN4O2/c1-4-5-17-11-6-9(10(15)7-18-11)12(20)19-8-14(2,3)13(16)21/h6-7H,4-5,8H2,1-3H3,(H2,16,21)(H,17,18)(H,19,20)
InChIKeyRGGXTSWSPFOYAX-UHFFFAOYSA-N
XLogP1.80
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-5-oxopentyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 106241124
5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 114922305
5-chloro-N-(3-methylpentan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 106331340
5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 114922642
5-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 114922629
5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922216
5-chloro-2-(ethylamino)-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 114924529
5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide
CID 114922327
5-chloro-N-(5-methyl-2-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 114921617
5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114922662
N-[2-(2-amino-2-oxoethoxy)ethyl]-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 106241240
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide
CID 106280042

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide (CID 106280116) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCC(C)(C)C(N)=O)c(Cl)cn1.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is RGGXTSWSPFOYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-4-5-17-11-6-9(10(15)7-18-11)12(20)19-8-14(2,3)13(16)21/h6-7H,4-5,8H2,1-3H3,(H2,16,21)(H,17,18)(H,19,20).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 106280116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).