(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide

C28H31N5O3 — CID 164734679

IUPAC(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC=C(c2ccc(OCc3ccccc3)nn2)C1
InChIInChI=1S/C28H31N5O3/c1-20(28(34)30-26-13-11-24(16-29-26)35-18-22-9-10-22)33-15-5-8-23(17-33)25-12-14-27(32-31-25)36-19-21-6-3-2-4-7-21/h2-4,6-8,11-14,16,20,22H,5,9-10,15,17-19H2,1H3,(H,29,30,34)/t20-/m0/s1
InChIKeySKNIJEAOUFLAMB-FQEVSTJZSA-N
MW485.59 g/mol
LogP4.36
Rot. Bonds10

About (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide

(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (PubChem CID 164734679) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
PubChem CID164734679
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC=C(c2ccc(OCc3ccccc3)nn2)C1
InChIInChI=1S/C28H31N5O3/c1-20(28(34)30-26-13-11-24(16-29-26)35-18-22-9-10-22)33-15-5-8-23(17-33)25-12-14-27(32-31-25)36-19-21-6-3-2-4-7-21/h2-4,6-8,11-14,16,20,22H,5,9-10,15,17-19H2,1H3,(H,29,30,34)/t20-/m0/s1
InChIKeySKNIJEAOUFLAMB-FQEVSTJZSA-N
XLogP4.36
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175468368
2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide
CID 163238031
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 164584665
2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide
CID 163237790
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
CID 164584495
N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 164734906
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 111332432
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]propanamide
CID 164734814
N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]propanamide
CID 163238185
N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 174231004
N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 164734757
2-[(3R)-3-(5-amino-6-oxo-1H-pyrazin-3-yl)-4,4-difluoropiperidin-1-yl]-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide
CID 174231161

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The IUPAC name of (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (CID 164734679) is (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC=C(c2ccc(OCc3ccccc3)nn2)C1.
What is the InChIKey of (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The InChIKey is SKNIJEAOUFLAMB-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-20(28(34)30-26-13-11-24(16-29-26)35-18-22-9-10-22)33-15-5-8-23(17-33)25-12-14-27(32-31-25)36-19-21-6-3-2-4-7-21/h2-4,6-8,11-14,16,20,22H,5,9-10,15,17-19H2,1H3,(H,29,30,34)/t20-/m0/s1.
What are the key properties of (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide has a molecular weight of 485.59 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is sourced from PubChem (CID 164734679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).