3-amino-6-(3-methoxyphenyl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide

C20H27N5O2 — CID 70693825

IUPAC3-amino-6-(3-methoxyphenyl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
SMILESCOc1cccc(-c2cnc(N)c(C(=O)NC(C)(C)C3CCNCC3)n2)c1
InChIInChI=1S/C20H27N5O2/c1-20(2,14-7-9-22-10-8-14)25-19(26)17-18(21)23-12-16(24-17)13-5-4-6-15(11-13)27-3/h4-6,11-12,14,22H,7-10H2,1-3H3,(H2,21,23)(H,25,26)
InChIKeyCAUBERYWAYCDCQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.24
Rot. Bonds5

About 3-amino-6-(3-methoxyphenyl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide

3-amino-6-(3-methoxyphenyl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide (PubChem CID 70693825) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-amino-6-(3-methoxyphenyl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3-methoxyphenyl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
PubChem CID70693825
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name3-amino-6-(3-methoxyphenyl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
SMILESCOc1cccc(-c2cnc(N)c(C(=O)NC(C)(C)C3CCNCC3)n2)c1
InChIInChI=1S/C20H27N5O2/c1-20(2,14-7-9-22-10-8-14)25-19(26)17-18(21)23-12-16(24-17)13-5-4-6-15(11-13)27-3/h4-6,11-12,14,22H,7-10H2,1-3H3,(H2,21,23)(H,25,26)
InChIKeyCAUBERYWAYCDCQ-UHFFFAOYSA-N
XLogP2.24
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-1-(3-(3-Amino-6-(2-fluoro-5-isopropoxyphenyl)pyrazine-2-carboxamido)pyridin-4-yl)piperidine-3-carboxylic acid
CID 139600315
2-(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-2-ylamino)-N,N-dimethylacetamide
CID 45268652
7-(4-Methoxyphenyl)-2,4-pteridinediol
CID 5409710
6-(4-methoxyphenyl)-4(3H)-pteridinone
CID 135473443
3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10139085
1-Ethyl-3-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea
CID 11200965
N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide
CID 45271830
1-[3-[[3-Amino-6-(2-fluoro-5-propan-2-yloxyphenyl)pyrazine-2-carbonyl]amino]-4-pyridinyl]piperidine-3-carboxylic acid
CID 168283487
3-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 68187574
1-[3-Amino-6-(3-Methoxyphenyl)pyrazin-2-Yl]piperidine-4-Carboxylic Acid
CID 46931216
Pyrazine-2-carboxylic acid [6-(4-methoxy-benzoylamino)-pyridin-3-yl]-amide
CID 1453033
7-[(3-Methoxyphenyl)methyl]-1,3-dimethyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione
CID 3756386

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methoxyphenyl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(3-methoxyphenyl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide (CID 70693825) is 3-amino-6-(3-methoxyphenyl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3-methoxyphenyl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3-methoxyphenyl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide is COc1cccc(-c2cnc(N)c(C(=O)NC(C)(C)C3CCNCC3)n2)c1.
What is the InChIKey of 3-amino-6-(3-methoxyphenyl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide?
The InChIKey is CAUBERYWAYCDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-20(2,14-7-9-22-10-8-14)25-19(26)17-18(21)23-12-16(24-17)13-5-4-6-15(11-13)27-3/h4-6,11-12,14,22H,7-10H2,1-3H3,(H2,21,23)(H,25,26).
What are the key properties of 3-amino-6-(3-methoxyphenyl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide?
3-amino-6-(3-methoxyphenyl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-methoxyphenyl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 70693825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).