2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide

C19H19N5O2 — CID 74244365

IUPAC2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1cnc(N)nc1-c1ccccc1
InChIInChI=1S/C19H19N5O2/c1-2-26-18-14(9-6-10-21-18)11-22-17(25)15-12-23-19(20)24-16(15)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,22,25)(H2,20,23,24)
InChIKeyBABPNXPIYRXABQ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.45
Rot. Bonds6

About 2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide

2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide (PubChem CID 74244365) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide
PubChem CID74244365
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1cnc(N)nc1-c1ccccc1
InChIInChI=1S/C19H19N5O2/c1-2-26-18-14(9-6-10-21-18)11-22-17(25)15-12-23-19(20)24-16(15)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,22,25)(H2,20,23,24)
InChIKeyBABPNXPIYRXABQ-UHFFFAOYSA-N
XLogP2.45
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid
CID 50959569
N-[(2-ethoxy-3-pyridinyl)methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46426796
methyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 15398885
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 38539806
2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide
CID 38537865
2-amino-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334706
N-[(2-ethoxy-3-pyridinyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 38537886
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
N-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55774452
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 37487511
N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide
CID 53184912

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide (CID 74244365) is 2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide is CCOc1ncccc1CNC(=O)c1cnc(N)nc1-c1ccccc1.
What is the InChIKey of 2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide?
The InChIKey is BABPNXPIYRXABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-2-26-18-14(9-6-10-21-18)11-22-17(25)15-12-23-19(20)24-16(15)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,22,25)(H2,20,23,24).
What are the key properties of 2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide?
2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 74244365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).