2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide

C19H19N5O2 — CID 23130752

IUPAC2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCc2ccc(OCc3ccccc3)cn2)c(N)n1
InChIInChI=1S/C19H19N5O2/c20-17-9-8-16(18(21)24-17)19(25)23-10-14-6-7-15(11-22-14)26-12-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,23,25)(H4,20,21,24)
InChIKeyBBNJMYZSXUBAPX-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.15
Rot. Bonds6

About 2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide

2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 23130752) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID23130752
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCc2ccc(OCc3ccccc3)cn2)c(N)n1
InChIInChI=1S/C19H19N5O2/c20-17-9-8-16(18(21)24-17)19(25)23-10-14-6-7-15(11-22-14)26-12-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,23,25)(H4,20,21,24)
InChIKeyBBNJMYZSXUBAPX-UHFFFAOYSA-N
XLogP2.15
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-N'-[2-(4-phenylmethoxyphenyl)acetyl]-2-propan-2-ylpyridine-3-carbohydrazide
CID 143647903
2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 70831046
3-(5-phenylmethoxy-2-pyridinyl)propanamide
CID 167598838
2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide
CID 139307046
azane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate
CID 174391409
6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 58104369
3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine
CID 110186685
6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid
CID 42601942
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
2-amino-6-(methoxymethyl)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66844101
2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844013
4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 83567447

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide (CID 23130752) is 2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide is Nc1ccc(C(=O)NCc2ccc(OCc3ccccc3)cn2)c(N)n1.
What is the InChIKey of 2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is BBNJMYZSXUBAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c20-17-9-8-16(18(21)24-17)19(25)23-10-14-6-7-15(11-22-14)26-12-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,23,25)(H4,20,21,24).
What are the key properties of 2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide?
2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 23130752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).