N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide

C14H20N4O2 — CID 105071246

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C14H20N4O2/c1-2-16-12-9-15-6-5-11(12)14(20)18-8-7-17-13(19)10-3-4-10/h5-6,9-10,16H,2-4,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyPIVVGCRFEXPBTQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.77
Rot. Bonds7

About N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide

N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide (PubChem CID 105071246) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide
PubChem CID105071246
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C14H20N4O2/c1-2-16-12-9-15-6-5-11(12)14(20)18-8-7-17-13(19)10-3-4-10/h5-6,9-10,16H,2-4,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyPIVVGCRFEXPBTQ-UHFFFAOYSA-N
XLogP0.77
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 113257034
N-cyclopentyl-3-(ethylamino)pyridine-4-carboxamide
CID 105068169
N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105070639
3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105069979
N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105069592
3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 105070287
2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate
CID 105071026
3-(ethylamino)-N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 105070144
N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071385
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105069549
3-(ethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-4-carboxamide
CID 105069888
3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070656

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide (CID 105071246) is N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide is CCNc1cnccc1C(=O)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide?
The InChIKey is PIVVGCRFEXPBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-16-12-9-15-6-5-11(12)14(20)18-8-7-17-13(19)10-3-4-10/h5-6,9-10,16H,2-4,7-8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105071246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).