N-benzyl-6-methyl-5-[(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine

C21H21N4P — CID 139442376

IUPACN-benzyl-6-methyl-5-[(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
SMILESCc1nc(NCc2ccccc2)ccc1Cc1cn(P)c2ncccc12
InChIInChI=1S/C21H21N4P/c1-15-17(12-18-14-25(26)21-19(18)8-5-11-22-21)9-10-20(24-15)23-13-16-6-3-2-4-7-16/h2-11,14H,12-13,26H2,1H3,(H,23,24)
InChIKeyJVKUAIWTMTVARP-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.58
Rot. Bonds5

About N-benzyl-6-methyl-5-[(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine

N-benzyl-6-methyl-5-[(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine (PubChem CID 139442376) has the molecular formula C21H21N4P and a molecular weight of 360.40 g/mol. Its IUPAC name is N-benzyl-6-methyl-5-[(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-methyl-5-[(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
PubChem CID139442376
Molecular FormulaC21H21N4P
Molecular Weight360.40 g/mol
Exact Mass360.15
IUPAC NameN-benzyl-6-methyl-5-[(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
SMILESCc1nc(NCc2ccccc2)ccc1Cc1cn(P)c2ncccc12
InChIInChI=1S/C21H21N4P/c1-15-17(12-18-14-25(26)21-19(18)8-5-11-22-21)9-10-20(24-15)23-13-16-6-3-2-4-7-16/h2-11,14H,12-13,26H2,1H3,(H,23,24)
InChIKeyJVKUAIWTMTVARP-UHFFFAOYSA-N
XLogP4.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[6-(benzylamino)-2-methyl-3-pyridinyl]methanol
CID 102546130
6-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine
CID 59593309
N-benzyl-3-methylimidazo[4,5-b]pyridin-5-amine
CID 23298277
2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
CID 55112812
N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174002
2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112889572
4-N-benzyl-2-N-isoquinolin-1-ylpyrimidine-2,4-diamine
CID 117091823
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
4-N-[(2-methylphenyl)methyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112889699
4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471
N-benzyl-2-propan-2-ylpyrimidin-4-amine
CID 164867803
CID 56969500
CID 56969500

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methyl-5-[(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of N-benzyl-6-methyl-5-[(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine (CID 139442376) is N-benzyl-6-methyl-5-[(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-benzyl-6-methyl-5-[(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-benzyl-6-methyl-5-[(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine is Cc1nc(NCc2ccccc2)ccc1Cc1cn(P)c2ncccc12.
What is the InChIKey of N-benzyl-6-methyl-5-[(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
The InChIKey is JVKUAIWTMTVARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N4P/c1-15-17(12-18-14-25(26)21-19(18)8-5-11-22-21)9-10-20(24-15)23-13-16-6-3-2-4-7-16/h2-11,14H,12-13,26H2,1H3,(H,23,24).
What are the key properties of N-benzyl-6-methyl-5-[(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
N-benzyl-6-methyl-5-[(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine has a molecular weight of 360.40 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methyl-5-[(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 139442376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).