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

C14H22N4O2 — CID 106280042

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C14H22N4O2/c1-4-6-17-11-5-7-16-8-10(11)12(19)18-9-14(2,3)13(15)20/h5,7-8H,4,6,9H2,1-3H3,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyUXPXYPAHUVSEKD-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.14
Rot. Bonds7

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

N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide (PubChem CID 106280042) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide
PubChem CID106280042
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C14H22N4O2/c1-4-6-17-11-5-7-16-8-10(11)12(19)18-9-14(2,3)13(15)20/h5,7-8H,4,6,9H2,1-3H3,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyUXPXYPAHUVSEKD-UHFFFAOYSA-N
XLogP1.14
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 106098462
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 114701819
N-[2-[ethyl(methyl)amino]ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81240941
N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81234637
N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 103464518
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide
CID 106280202
4-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 81240630
N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81243085
N-(1-methylcyclopentyl)-4-(propylamino)pyridine-3-carboxamide
CID 81245301

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide (CID 106280042) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide is CCCNc1ccncc1C(=O)NCC(C)(C)C(N)=O.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is UXPXYPAHUVSEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-6-17-11-5-7-16-8-10(11)12(19)18-9-14(2,3)13(15)20/h5,7-8H,4,6,9H2,1-3H3,(H2,15,20)(H,16,17)(H,18,19).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.14, 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)-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 106280042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).