N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide

C20H23N3O2 — CID 154880996

IUPACN-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2)ccc1OCC1CN1CC1CC1
InChIInChI=1S/C20H23N3O2/c1-14-9-17(22-20(24)16-3-2-8-21-10-16)6-7-19(14)25-13-18-12-23(18)11-15-4-5-15/h2-3,6-10,15,18H,4-5,11-13H2,1H3,(H,22,24)
InChIKeyIGRSFVRZISQQMY-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.12
Rot. Bonds7

About N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide

N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide (PubChem CID 154880996) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide
PubChem CID154880996
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2)ccc1OCC1CN1CC1CC1
InChIInChI=1S/C20H23N3O2/c1-14-9-17(22-20(24)16-3-2-8-21-10-16)6-7-19(14)25-13-18-12-23(18)11-15-4-5-15/h2-3,6-10,15,18H,4-5,11-13H2,1H3,(H,22,24)
InChIKeyIGRSFVRZISQQMY-UHFFFAOYSA-N
XLogP3.12
TPSA54.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-[3-chloro-4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]carbamate
CID 154881484
N-(4-ethoxy-3-methylphenyl)quinoline-6-carboxamide
CID 86874562
N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630389
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 106491097
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 7311959
(4-chloro-2-methylphenyl) 3-(pyridine-3-carbonylamino)benzoate
CID 39995278
1-(cyclopropylmethyl)-N-(6-methyl-3-pyridinyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97385255
N-[[4-(cyclohexylmethoxy)-3-fluorophenyl]carbamothioyl]pyridine-3-carboxamide
CID 11689594
N-[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 38661253
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide (CID 154880996) is N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide is Cc1cc(NC(=O)c2cccnc2)ccc1OCC1CN1CC1CC1.
What is the InChIKey of N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide?
The InChIKey is IGRSFVRZISQQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-9-17(22-20(24)16-3-2-8-21-10-16)6-7-19(14)25-13-18-12-23(18)11-15-4-5-15/h2-3,6-10,15,18H,4-5,11-13H2,1H3,(H,22,24).
What are the key properties of N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide?
N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-3-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 154880996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).