N-methyl-N-[(3S)-1-[(7R)-7-pyrimidin-5-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide

C22H26N6O2 — CID 146430215

IUPACN-methyl-N-[(3S)-1-[(7R)-7-pyrimidin-5-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@H](c2cncnc2)N3)C1
InChIInChI=1S/C22H26N6O2/c1-27(21(29)14-2-3-14)18-6-7-28(12-18)22(30)16-8-15-4-5-19(26-20(15)25-11-16)17-9-23-13-24-10-17/h8-11,13-14,18-19H,2-7,12H2,1H3,(H,25,26)/t18-,19+/m0/s1
InChIKeyVQADBJVSDMGKOB-RBUKOAKNSA-N
MW406.49 g/mol
LogP2.05
Rot. Bonds4

About N-methyl-N-[(3S)-1-[(7R)-7-pyrimidin-5-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide

N-methyl-N-[(3S)-1-[(7R)-7-pyrimidin-5-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 146430215) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1-[(7R)-7-pyrimidin-5-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-[(7R)-7-pyrimidin-5-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID146430215
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-methyl-N-[(3S)-1-[(7R)-7-pyrimidin-5-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@H](c2cncnc2)N3)C1
InChIInChI=1S/C22H26N6O2/c1-27(21(29)14-2-3-14)18-6-7-28(12-18)22(30)16-8-15-4-5-19(26-20(15)25-11-16)17-9-23-13-24-10-17/h8-11,13-14,18-19H,2-7,12H2,1H3,(H,25,26)/t18-,19+/m0/s1
InChIKeyVQADBJVSDMGKOB-RBUKOAKNSA-N
XLogP2.05
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-1-[(7R)-7-pyrimidin-5-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-[(3S)-1-[(7R)-7-pyrimidin-5-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide (CID 146430215) is N-methyl-N-[(3S)-1-[(7R)-7-pyrimidin-5-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-[(3S)-1-[(7R)-7-pyrimidin-5-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-[(3S)-1-[(7R)-7-pyrimidin-5-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide is CN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@H](c2cncnc2)N3)C1.
What is the InChIKey of N-methyl-N-[(3S)-1-[(7R)-7-pyrimidin-5-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is VQADBJVSDMGKOB-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-27(21(29)14-2-3-14)18-6-7-28(12-18)22(30)16-8-15-4-5-19(26-20(15)25-11-16)17-9-23-13-24-10-17/h8-11,13-14,18-19H,2-7,12H2,1H3,(H,25,26)/t18-,19+/m0/s1.
What are the key properties of N-methyl-N-[(3S)-1-[(7R)-7-pyrimidin-5-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
N-methyl-N-[(3S)-1-[(7R)-7-pyrimidin-5-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-1-[(7R)-7-pyrimidin-5-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146430215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).