N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide

C16H18N2O — CID 80564611

IUPACN-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
SMILESO=C(NCC1CCNC1)c1ccc2ccccc2c1
InChIInChI=1S/C16H18N2O/c19-16(18-11-12-7-8-17-10-12)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,12,17H,7-8,10-11H2,(H,18,19)
InChIKeyYIAGNFCNGNWVPN-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.18
Rot. Bonds3

About N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide

N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide (PubChem CID 80564611) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
PubChem CID80564611
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
SMILESO=C(NCC1CCNC1)c1ccc2ccccc2c1
InChIInChI=1S/C16H18N2O/c19-16(18-11-12-7-8-17-10-12)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,12,17H,7-8,10-11H2,(H,18,19)
InChIKeyYIAGNFCNGNWVPN-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144
4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide
CID 68551759
4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 114103391
N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 106126364
N-(piperidin-3-ylmethyl)quinoline-6-carboxamide
CID 62874382
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271818
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 115208869
4-nitro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564436
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564844

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide (CID 80564611) is N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide is O=C(NCC1CCNC1)c1ccc2ccccc2c1.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide?
The InChIKey is YIAGNFCNGNWVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(18-11-12-7-8-17-10-12)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,12,17H,7-8,10-11H2,(H,18,19).
What are the key properties of N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide?
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 80564611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).