N-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

C14H20N4O2 — CID 54108102

IUPACN-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CN1CCCC1C(=O)N=C(N)N
InChIInChI=1S/C14H20N4O2/c1-20-12-7-3-2-5-10(12)9-18-8-4-6-11(18)13(19)17-14(15)16/h2-3,5,7,11H,4,6,8-9H2,1H3,(H4,15,16,17,19)
InChIKeyNFEOCLAWRXFXRA-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.46
Rot. Bonds4

About N-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

N-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 54108102) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID54108102
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CN1CCCC1C(=O)N=C(N)N
InChIInChI=1S/C14H20N4O2/c1-20-12-7-3-2-5-10(12)9-18-8-4-6-11(18)13(19)17-14(15)16/h2-3,5,7,11H,4,6,8-9H2,1H3,(H4,15,16,17,19)
InChIKeyNFEOCLAWRXFXRA-UHFFFAOYSA-N
XLogP0.46
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone
CID 55257955
1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 75385102
1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 175978099
methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462737
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036642
N-(diaminomethylidene)-1-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 54174342
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909083
1-[(5-chloro-2-methoxyphenyl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 77035987
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 75514876
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
methyl 2-[(2S)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate
CID 124886467

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 54108102) is N-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is COc1ccccc1CN1CCCC1C(=O)N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is NFEOCLAWRXFXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-20-12-7-3-2-5-10(12)9-18-8-4-6-11(18)13(19)17-14(15)16/h2-3,5,7,11H,4,6,8-9H2,1H3,(H4,15,16,17,19).
What are the key properties of N-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
N-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 54108102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).