N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide

C12H19N5O2 — CID 83115001

IUPACN-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NCCNC(N)=O
InChIInChI=1S/C12H19N5O2/c1-2-4-15-10-3-5-14-8-9(10)11(18)16-6-7-17-12(13)19/h3,5,8H,2,4,6-7H2,1H3,(H,14,15)(H,16,18)(H3,13,17,19)
InChIKeyQOFILRMZZQBQBL-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.30
Rot. Bonds7

About N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide

N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide (PubChem CID 83115001) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
PubChem CID83115001
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NCCNC(N)=O
InChIInChI=1S/C12H19N5O2/c1-2-4-15-10-3-5-14-8-9(10)11(18)16-6-7-17-12(13)19/h3,5,8H,2,4,6-7H2,1H3,(H,14,15)(H,16,18)(H3,13,17,19)
InChIKeyQOFILRMZZQBQBL-UHFFFAOYSA-N
XLogP0.30
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide
CID 106280042
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252
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
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-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 106098462
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81234341
N-(4,6-dimethylpyrimidin-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 81239346
4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 81241625
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 106422913

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide (CID 83115001) is N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide is CCCNc1ccncc1C(=O)NCCNC(N)=O.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is QOFILRMZZQBQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-2-4-15-10-3-5-14-8-9(10)11(18)16-6-7-17-12(13)19/h3,5,8H,2,4,6-7H2,1H3,(H,14,15)(H,16,18)(H3,13,17,19).
What are the key properties of N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide?
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.30, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 83115001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).