N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine

C27H23N3 — CID 21130226

IUPACN-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine
SMILESc1cc(CNc2ccc3ccccc3c2)nc(CNc2ccc3ccccc3c2)c1
InChIInChI=1S/C27H23N3/c1-3-8-22-16-24(14-12-20(22)6-1)28-18-26-10-5-11-27(30-26)19-29-25-15-13-21-7-2-4-9-23(21)17-25/h1-17,28-29H,18-19H2
InChIKeyDQXAXCONVONHBI-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.61
Rot. Bonds6

About N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine

N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine (PubChem CID 21130226) has the molecular formula C27H23N3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine
PubChem CID21130226
Molecular FormulaC27H23N3
Molecular Weight389.50 g/mol
Exact Mass389.19
IUPAC NameN-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine
SMILESc1cc(CNc2ccc3ccccc3c2)nc(CNc2ccc3ccccc3c2)c1
InChIInChI=1S/C27H23N3/c1-3-8-22-16-24(14-12-20(22)6-1)28-18-26-10-5-11-27(30-26)19-29-25-15-13-21-7-2-4-9-23(21)17-25/h1-17,28-29H,18-19H2
InChIKeyDQXAXCONVONHBI-UHFFFAOYSA-N
XLogP6.61
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Dimethyl-N'-(2-naphthalen-2-YL-quinolin-4-YL)-ethane-1, 2-diamine
CID 454715
Benzenamine, 4-(2,6-diphenyl-4-pyridinyl)-N,N-dimethyl-
CID 93126
4-(trifluoromethyl)-N-[[6-[[4-(trifluoromethyl)anilino]methyl]pyridin-2-yl]methyl]aniline
CID 21130228
2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline
CID 132578412
4-ethyl-N-[[6-[(4-ethylanilino)methyl]-2-pyridinyl]methyl]aniline
CID 132578413
2,3-Diphenyl-5,6-benzoquinoxaline
CID 294541
(3,4-Dimethyl-phenyl)-(2-methyl-quinolin-4-yl)-amine
CID 3128252
Benzo(B)Phenazine
CID 96896
1,3-Diphenyl-benzo(F)quinoline
CID 3094016
N-[2-(dimethylamino)ethyl]-2-(2-naphtyl)quinolin-4-amine
CID 10020216
N,N-dimethyl-4-[(E)-2-(4-phenylbenzo[f]quinolin-4-ium-3-yl)ethenyl]aniline chloride
CID 16195997
4-methyl-N-[[6-[(4-methylanilino)methyl]-2-pyridinyl]methyl]aniline
CID 21130318

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine?
The IUPAC name of N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine (CID 21130226) is N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine.
What is the SMILES notation for N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine?
The canonical SMILES for N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine is c1cc(CNc2ccc3ccccc3c2)nc(CNc2ccc3ccccc3c2)c1.
What is the InChIKey of N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine?
The InChIKey is DQXAXCONVONHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3/c1-3-8-22-16-24(14-12-20(22)6-1)28-18-26-10-5-11-27(30-26)19-29-25-15-13-21-7-2-4-9-23(21)17-25/h1-17,28-29H,18-19H2.
What are the key properties of N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine?
N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine has a molecular weight of 389.50 g/mol, XLogP of 6.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine is sourced from PubChem (CID 21130226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).