N-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide

C15H22N4O3 — CID 122556136

IUPACN-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide
SMILESCOCC1(CNC(=O)NCCNC(=O)c2cccnc2)CC1
InChIInChI=1S/C15H22N4O3/c1-22-11-15(4-5-15)10-19-14(21)18-8-7-17-13(20)12-3-2-6-16-9-12/h2-3,6,9H,4-5,7-8,10-11H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyLXYWAECSZUFMSO-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.54
Rot. Bonds8

About N-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide

N-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide (PubChem CID 122556136) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide
PubChem CID122556136
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide
SMILESCOCC1(CNC(=O)NCCNC(=O)c2cccnc2)CC1
InChIInChI=1S/C15H22N4O3/c1-22-11-15(4-5-15)10-19-14(21)18-8-7-17-13(20)12-3-2-6-16-9-12/h2-3,6,9H,4-5,7-8,10-11H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyLXYWAECSZUFMSO-UHFFFAOYSA-N
XLogP0.54
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.54
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-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 115364055
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide
CID 106244946
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39023791
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338
N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 56545663
N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 4238549
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39577143

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide (CID 122556136) is N-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide is COCC1(CNC(=O)NCCNC(=O)c2cccnc2)CC1.
What is the InChIKey of N-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide?
The InChIKey is LXYWAECSZUFMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-22-11-15(4-5-15)10-19-14(21)18-8-7-17-13(20)12-3-2-6-16-9-12/h2-3,6,9H,4-5,7-8,10-11H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide?
N-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 122556136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).